Theophylline-1,3-15N2-2-13C

• CAT Number: R063868
• CAS Number: 84718-95-6
• Molecular Formula: C7H8N4O2
• Molecular Weight: 183.146
• Purity: ≥95%
• Synonyms: 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione-2-13C-1,3-15N2 ; 3,9-Dihydro-1,3-dimethyl-1H-purine-2,6-dione-1,3-15N2-2-13C; 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione-1,3-15N2-2-13C; 1,3-Dimethylxanthine-1,3-15N2-2-13C; Accurbron-1,3-15N2-2-13C; Aer
• Storage: -20°C
• IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione
• InChI: InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)/i7+1,10+1,11+1
• InChIKey: ZFXYFBGIUFBOJW-NBLDSOAPSA-N
• SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2

Theophylline-1,3-¹⁵N2-2-¹³C (CAT: R063868) is an isotopically labeled form of theophylline, a bronchodilator used in respiratory conditions like asthma and COPD. This labeled compound plays a pivotal role in scientific research, serving as a tracer in pharmacological and metabolic studies. By incorporating stable isotopes (¹³C and ¹⁵N) into its structure, researchers can investigate its metabolic pathways, pharmacokinetics, and drug metabolism within biological systems.